UCSF

ZINC00452550

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 17 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.01 9.51 -8.05 0 2 0 18 293.208 4
Mid Mid (pH 6-8) 4.01 10.01 -27.54 1 2 1 19 294.216 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )